Revisiting the role of octahedral symmetry in the interpretation of spectroscopic properties of [OsF6]2− and PtF6 complexes

dc.contributor.author	Solis-Céspedes, Eduardo
dc.contributor.author	Alvarez-Thon, Luis
dc.contributor.author	Arratia-Perez, Ramiro
dc.contributor.author	Páez-Hernández, Dayán
dc.date.accessioned	2024-06-24T21:57:13Z
dc.date.available	2024-06-24T21:57:13Z
dc.date.issued	2024
dc.identifier.uri	http://repositorio.ucm.cl/handle/ucm/5457
dc.description.abstract	The electronic structure of [OsF6]2− and PtF6 complexes was studied by means of CASSCF/NEVPT2 multiconfigurational calculations, including spin–orbital coupling, which is very relevant in the case of these metals. From these calculations, it is possible to establish that in the octahedral symmetry (Oh), the ground state is non-magnetic (Jeff = 0) because of the strong ligand field, and the interaction with paramagnetic excited states is almost negligible, resulting in a non-magnetic behavior, which is in agreement with the experimental evidence.	es_CL
dc.language.iso	en	es_CL
dc.rights	Atribución-NoComercial-SinDerivadas 3.0 Chile	*
dc.rights.uri	http://creativecommons.org/licenses/by-nc-nd/3.0/cl/	*
dc.source	Dalton Transactions, (22), 9301-9305	es_CL
dc.title	Revisiting the role of octahedral symmetry in the interpretation of spectroscopic properties of [OsF6]2− and PtF6 complexes	es_CL
dc.type	Article	es_CL
dc.ucm.facultad	Facultad de Medicina	es_CL
dc.ucm.indexacion	Scopus	es_CL
dc.ucm.indexacion	Isi	es_CL
dc.ucm.uri	pubs.rsc.org/en/content/articlelanding/2024/dt/d4dt01006j	es_CL
dc.ucm.doi	doi.org/10.1039/D4DT01006J	es_CL

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